methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate

C32H25NO3 — CID 166501104

IUPACmethyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(N=C(c3ccccc3)c3ccccc3)ccc2cc1OCc1ccccc1
InChIInChI=1S/C32H25NO3/c1-35-32(34)29-20-27-19-28(18-17-26(27)21-30(29)36-22-23-11-5-2-6-12-23)33-31(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,22H2,1H3
InChIKeyFPWMNUATNYVIHW-UHFFFAOYSA-N
MW471.56 g/mol
LogP7.37
Rot. Bonds7

About methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate

methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate (PubChem CID 166501104) has the molecular formula C32H25NO3 and a molecular weight of 471.56 g/mol. Its IUPAC name is methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
PubChem CID166501104
Molecular FormulaC32H25NO3
Molecular Weight471.56 g/mol
Exact Mass471.18
IUPAC Namemethyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(N=C(c3ccccc3)c3ccccc3)ccc2cc1OCc1ccccc1
InChIInChI=1S/C32H25NO3/c1-35-32(34)29-20-27-19-28(18-17-26(27)21-30(29)36-22-23-11-5-2-6-12-23)33-31(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,22H2,1H3
InChIKeyFPWMNUATNYVIHW-UHFFFAOYSA-N
XLogP7.37
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
N-[3,6-bis(phenylmethoxy)naphthalen-2-yl]-1,1-diphenylmethanimine
CID 86624015
methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
CID 155167097
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
methyl 3-bromo-8-phenylmethoxynaphthalene-1-carboxylate
CID 172528451
methyl 5-oxaldehydoyl-2-phenylmethoxybenzoate;hydrate
CID 131711552
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554

Frequently Asked Questions

What is the IUPAC name of methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate (CID 166501104) is methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate is COC(=O)c1cc2cc(N=C(c3ccccc3)c3ccccc3)ccc2cc1OCc1ccccc1.
What is the InChIKey of methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate?
The InChIKey is FPWMNUATNYVIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO3/c1-35-32(34)29-20-27-19-28(18-17-26(27)21-30(29)36-22-23-11-5-2-6-12-23)33-31(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,22H2,1H3.
What are the key properties of methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate?
methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate has a molecular weight of 471.56 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(benzhydrylideneamino)-3-phenylmethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 166501104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).